AC1NQ1HG
2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide|2-((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide|2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide|2-[5-(3-methoxyphenyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio)]-N-[3-(trifluorom ethyl)phenyl]acetamide
| Molecular Formula | C21H19F3N4O2S |
|---|---|
| Molecular Weight | 448.11807 g/mol |
| LogP | 4.8893 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.11807 |
| Monoisotopic Mass | 448.11807 |
| Heavy Atoms | 31 |
| Complexity | 1082.4819 |
Chemical Identifiers
| CAS Number | 861644-91-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
AC1NQ1HG (CAS 861644-91-9), with molecular formula C21H19F3N4O2S and molecular weight 448.11807 g/mol. IUPAC: 2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
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